(2-bromanyl-4-methyl-phenyl) 4-ethanoylbenzenesulfonate

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 4-ethanoylbenzenesulfonate Openeye Name: (2-bromo-4-methyl-phenyl) 4-acetylbenzenesulfonate CAS Name: 4-acetylbenzenesulfonic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 4-acetylbenzenesulfonate Traditional Name: 4-acetylbenzenesulfonic acid (2-bromo-4-methyl-phenyl) ester Formula: C15H13BrO4S MolecularWeight: 369.23032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C(=O)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C(=O)C)Br

InChI

InChI=1S/C15H13BrO4S/c1-10-3-8-15(14(16)9-10)20-21(18,19)13-6-4-12(5-7-13)11(2)17/h3-9H,1-2H3